REMARK Name = BDB017713 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.201 -0.878 0.471 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.283 -0.710 1.347 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.536 -0.323 0.860 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.754 -0.103 -0.508 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -4.109 0.293 -0.954 0.00 0.00 +0.048 A ATOM 6 N LIG 1 -4.357 0.486 -2.305 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -3.524 0.606 -2.881 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -5.552 1.171 -2.771 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -6.746 0.693 -1.951 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.487 0.857 -0.448 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.091 0.457 -0.044 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.842 0.248 1.407 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.721 0.417 2.248 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -1.661 -0.272 -1.368 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -1.785 -0.053 -2.687 0.00 0.00 -0.205 F ATOM 16 N LIG 1 -3.584 -0.143 1.768 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -3.436 -0.284 2.758 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 -0.405 -0.656 -0.895 0.00 0.00 +0.044 A ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 1.155 -1.302 0.993 0.00 0.00 +0.119 C BRANCH 19 23 ATOM 20 N LIG 1 4.225 0.107 0.735 0.00 0.00 -0.307 N ATOM 21 C LIG 1 4.290 -0.330 2.132 0.00 0.00 +0.122 C ATOM 22 C LIG 1 2.945 -0.957 2.591 0.00 0.00 +0.103 C ATOM 23 N LIG 1 1.697 -0.390 2.019 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.984 0.954 1.473 0.00 0.00 +0.103 C ATOM 25 C LIG 1 3.101 1.004 0.405 0.00 0.00 +0.122 C BRANCH 20 28 ATOM 26 C LIG 1 7.525 0.088 -1.136 0.00 0.00 +0.110 A ATOM 27 S LIG 1 6.860 -0.534 0.304 0.00 0.00 -0.042 S ATOM 28 C LIG 1 5.334 0.210 -0.055 0.00 0.00 +0.162 A ATOM 29 N LIG 1 5.336 0.875 -1.194 0.00 0.00 -0.232 NA ATOM 30 C LIG 1 6.571 0.812 -1.808 0.00 0.00 +0.139 A BRANCH 26 32 ATOM 31 N LIG 1 9.955 -0.282 -1.927 0.00 0.00 -0.190 NA ATOM 32 C LIG 1 8.863 -0.120 -1.566 0.00 0.00 +0.108 C ENDBRANCH 26 32 ENDBRANCH 20 28 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 4